SCHEMBL14075282

SCHEMBL14075282

O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)c2ccccc2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.66
▸ LMNA P02545 4/20 0.65
▸ DHODH Q02127 1/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ TP53 P04637 3/20 0.64
▸ HTT P42858 3/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ HPGD P15428 1/20 0.64
▸ POLB P06746 3/20 0.61
▸ NPC1 O15118 4/20 0.59
▸ F2 P00734 1/20 0.59
▸ F10 P00742 1/20 0.59
▸ PLG P00747 1/20 0.59
▸ PLAU P00749 1/20 0.59
▸ PLAT P00750 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ RAB9A P51151 3/20 0.57
▸ PKM P14618 2/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14087662 0.90 DHODH (0.69) DHODHKMT2AMEN1KDM4EPOLB
SCHEMBL14855907 0.90 DHODH (0.73) DHODHKMT2AMEN1KDM4EPOLB
SCHEMBL11405554 0.88 LMNA (0.76) LMNADHODHKMT2AMEN1TP53
SCHEMBL4669122 0.88 LMNA (0.76) LMNADHODHKMT2AMEN1TP53
SCHEMBL22191397 0.85 DHODH (0.68) DHODHKMT2AMEN1KDM4EPOLB
SCHEMBL14075242 0.85 DHODH (0.88) DHODHKMT2AMEN1KDM4EPOLB
SCHEMBL8194070 0.85 MEN1 (0.77) ALOX15LMNAKMT2AMEN1TP53
SCHEMBL2028671 0.84 DHODH (0.86) DHODHKMT2AMEN1NPC1RAB9A
SCHEMBL22191760 0.84 KMT2A (0.76) DHODHKMT2AMEN1KDM4EHPGD
SCHEMBL24312443 0.84 NPC1 (0.69) DHODHKMT2AMEN1HTTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429677-B2 Small molecule entry inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-09-30 — — US disclosed
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